SCHEMBL23601016

SCHEMBL23601016

Cc1cncc2c1CCCN2c1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 4/20 0.32
ACHE P22303 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
POLB P06746 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30979164 0.90 MAPT (0.34) MAPTSTAT3KMT2ABCHEACHE
SCHEMBL23576649 0.90 MAPT (0.34) MAPTSTAT3KMT2ABCHEACHE
SCHEMBL23601260 0.88 MAPT (0.38) MAPTSTAT3KMT2ASMN1; SMN2POLB
SCHEMBL23601726 0.87 MAPT (0.40) MAPTSTAT3KMT2ASMN1; SMN2POLB
SCHEMBL23601778 0.84 MAPT (0.39) MAPTSTAT3KMT2ASMN1; SMN2POLB
SCHEMBL23601313 0.84 PTAFR (0.33) BCHEACHEGRIN1GRIN2APOLB
SCHEMBL23601409 0.84 PER2 (0.30)
SCHEMBL23577967 0.84 MAPT (0.31) MAPT
SCHEMBL23576973 0.84 PER2 (0.32)
SCHEMBL23601486 0.84 PER2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed